Title:The Role of Justicia Adhatoda as prophylaxis for COVID-19 – Analysis based on docking study
VOLUME: 21
Author(s):Pugazhenthan Thangaraju*, Sree Sudha TY, Praveen Kumar Pasala, Sri Hari TY, Sajitha Venkatesan and Eswaran Thangaraju
Affiliation:Dept. of Pharmacology, All India Institute of Medical Sciences, Raipur, Dept. of Pharmacology, All India Institute of Medical Sciences, Raipur, Creative educational society’s college of Pharmacy, Kurnool, Andhra Pradesh, MICU, DNB Family medicine, KIMS, Secunderabad, Telangana, Dept. of Microbiology, All India Institute of Medical Sciences, Raipur, AKT memorial college of engineering and Technology, Kallakurichi, Tamilnadu
Keywords:Coronavirus infections, Adathoda vasica, vasicine, In silico, PyRx, AutoDoc vina, Virus proteins.
Abstract:Coronavirus cause severe harm to the health of both humans as well as animals, creating a major global health
problem affecting millions of populations. Considering situational emergency of identifying novel targeted therapy, we have
chosen herbal compound Adathoda justice/ vasica which is high potent olden vital compound having key role in various
respiratory conditions with multiple beneficial uses. Adathoda is promoted and supported by the Ministry of AYUSH for
symptomatic management of respiratory ailments in case of COVID 19. In this study, we focused Adathoda primary active
alkaloid vasicine efficacy against coronavirus infectious symptoms, evaluated by in Silico screening studies on virus
proteins ACE 2 Receptor, 3CL protease and Spike protein SARS HR1 motif using PyRx tool and AutoDoc 1.5.6. Based on
PyRx results, Vasicine with ACE 2 Receptor shown higher docking affinity score -7.1 K/cal respectively when compared to
other virus proteins. AutoDoc 1.5.6 screening study report showed that vasicine promotes good inhibitory constant 486.54
mM on 3CL protease more than others. Results reveal that the vasicine could be a potential target for the treatment of
COVID 19. This study adds strong evidence to the claim by the advisory released by AYUSH. Based on the results with
available literature Adathoda could be a drug helpful in relieving symptoms in non COVID cases those who were
quarantined or in lockdown pace thereby reducing pandemic panic and in confirmed asymptomatic or mild cases. For usage
in moderate to severe cases this could be an add on therapy with existing modern medical therapy.
